Send us a Message



Submit Data |  Help |  Video Tutorials |  News |  Publications |  Download |  REST API |  Citing RGD |  Contact   

CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:3-(4-carboxybutanamido)-1-\{4-[(2-hydroxyethyl)carbamoyl]benzyl\}-1-methylpiperidinium
go back to main search page
Accession:CHEBI:67219 term browser browse the term
Definition:A piperidinium ion that is benzamide substituted on nitrogen by a 2-hydroxyethyl group and at the 4-position by a [3-(4-carboxybutanamido)-N-methylpiperidinio]methyl group.
Synonyms:related_synonym: 3-[(4-carboxybutanoyl)amino]-1-{4-[(2-hydroxyethyl)carbamoyl]benzyl}-1-methylpiperidinium;   Formula=C21H32N3O5;   InChI=1S/C21H31N3O5/c1-24(14-16-7-9-17(10-8-16)21(29)22-11-13-25)12-3-4-18(15-24)23-19(26)5-2-6-20(27)28/h7-10,18,25H,2-6,11-15H2,1H3,(H2-,22,23,26,27,28,29)/p+1;   InChIKey=MPPPWHFHPXCSEX-UHFFFAOYSA-O;   N-((4'-((hydroxyethyl)carbamido)phenyl)methyl)-3-(4-carboxybutanamido)-N-methylpiperidinium;   N-((4'-((hydroxyethyl)carbamido)phenyl)methyl)-3-[(4-carboxybutanoyl)amino]-N-methylpiperidinium;   N-(2-hydroxyethyl)-4-({3-[4-(carboxybutanoyl)amino]-N-methylpiperidinio}methyl)benzamide;   N-(2-hydroxyethyl)-4-{[3-(4-carboxybutanamido)-N-methylpiperidinio]methyl}benzamide;   SMILES=C[N+]1(CCCC(C1)NC(=O)CCCC(O)=O)Cc1ccc(cc1)C(=O)NCCO
 xref: PDB:1UWG;   PMID:14988504


show annotations for term's descendants           Sort by:
 

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 913
    role 872
      biological role 872
        hapten 0
          3-(4-carboxybutanamido)-1-\{4-[(2-hydroxyethyl)carbamoyl]benzyl\}-1-methylpiperidinium 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 913
    subatomic particle 898
      composite particle 898
        hadron 898
          baryon 898
            nucleon 898
              atomic nucleus 898
                atom 898
                  main group element atom 867
                    main group molecular entity 865
                      s-block molecular entity 752
                        hydrogen molecular entity 739
                          hydrides 358
                            inorganic hydride 250
                              pnictogen hydride 246
                                nitrogen hydride 246
                                  ammonium 23
                                    ammonium ion derivative 23
                                      piperidinium ion 0
                                        3-(4-carboxybutanamido)-1-\{4-[(2-hydroxyethyl)carbamoyl]benzyl\}-1-methylpiperidinium 0
paths to the root